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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002772

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2MHcis-4-methylcyclohexanamineA,B,C2PT90.74
DNH1R,2R-DIAMINOCYCLOHEXANEA,B1IHH1
DIAOCTANE 1,8-DIAMINEA,B3BI50.71
DIAOCTANE 1,8-DIAMINEA,B,C1H830.71
16DHEXANE-1,6-DIAMINEA,B,C2QK90.79
16DHEXANE-1,6-DIAMINEA,B,C,D,E,F1WOG0.79
CYICYCLOHEXYL ISOCYANIDEA,B2CZ60.72
CYICYCLOHEXYL ISOCYANIDEA,B2D0Q0.72
HAICYCLOHEXYLAMMONIUM IONA1NAW0.93
HAICYCLOHEXYLAMMONIUM IONA,B2H520.93
HAICYCLOHEXYLAMMONIUM IONA,B1EJD0.93
HAICYCLOHEXYLAMMONIUM IONA,B2HHJ0.93
PUT1,4-DIAMINOBUTANEA1I7B0.7
PUT1,4-DIAMINOBUTANEA,B3DZ60.7
PUT1,4-DIAMINOBUTANEA,B,C,D1I7M0.7
PUT1,4-DIAMINOBUTANEA1I790.7
PUT1,4-DIAMINOBUTANEA,B2O060.7
PUT1,4-DIAMINOBUTANEA,B1JL00.7
PUT1,4-DIAMINOBUTANEA1I720.7
PUT1,4-DIAMINOBUTANEA,B,C,D1A990.7
PUT1,4-DIAMINOBUTANEA,B3DZ40.7
PUT1,4-DIAMINOBUTANEA,B3H0W0.7
PUT1,4-DIAMINOBUTANEA,B3DZ30.7
PUT1,4-DIAMINOBUTANEA,B1MSV0.7
PUT1,4-DIAMINOBUTANEA1I7C0.7
PUT1,4-DIAMINOBUTANEA,B3DZ70.7
PUT1,4-DIAMINOBUTANEA,B3EPB0.7
PUT1,4-DIAMINOBUTANEA,B,C,D1F3T0.7
PUT1,4-DIAMINOBUTANEA,B3DZ20.7
PUT1,4-DIAMINOBUTANEA,B3DZ50.7
PUT1,4-DIAMINOBUTANEA,B3EPA0.7
PUT1,4-DIAMINOBUTANEA,B3H0V0.7
297dodecane-1,12-diamineA,B3BI20.71
A71(6-AMINOHEXYLAMINE)(TRIAMMINE) PLATINUM(II) COMPLEXA,B2DYW0.76
N2PPENTANE-1,5-DIAMINEA,B2OO00.78
N2PPENTANE-1,5-DIAMINEA,B1H3M0.78
N2PPENTANE-1,5-DIAMINEA,B,C,D1GZL0.78
AMLAMYLAMINEA1JIR0.71
1PTCYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)A1PG90.82
1PTCYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)A1PGC0.82
1PTCYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)A2K0U0.82
1PTCYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)A2K0T0.82
CHN4-AMINOMETHYL-CYCLOHEXYLAMINEA,I1D9I0.76
LPTCIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEXA,C1LU50.96
1CBCYCLOPENTANAMINEA2AS60.76